(1-benzylpiperidin-4-yl) N-[2-[(4-methoxybenzoyl)amino]phenyl]carbamate

C27H29N3O4 — CID 21352739

IUPAC(1-benzylpiperidin-4-yl) N-[2-[(4-methoxybenzoyl)amino]phenyl]carbamate
SMILESCOc1ccc(C(=O)Nc2ccccc2NC(=O)OC2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C27H29N3O4/c1-33-22-13-11-21(12-14-22)26(31)28-24-9-5-6-10-25(24)29-27(32)34-23-15-17-30(18-16-23)19-20-7-3-2-4-8-20/h2-14,23H,15-19H2,1H3,(H,28,31)(H,29,32)
InChIKeyYZXWGMZUZJYYQF-UHFFFAOYSA-N
MW459.55 g/mol
LogP5.16
Rot. Bonds7

About (1-benzylpiperidin-4-yl) N-[2-[(4-methoxybenzoyl)amino]phenyl]carbamate

(1-benzylpiperidin-4-yl) N-[2-[(4-methoxybenzoyl)amino]phenyl]carbamate (PubChem CID 21352739) has the molecular formula C27H29N3O4 and a molecular weight of 459.55 g/mol. Its IUPAC name is (1-benzylpiperidin-4-yl) N-[2-[(4-methoxybenzoyl)amino]phenyl]carbamate.

Molecular Properties

Compound Name(1-benzylpiperidin-4-yl) N-[2-[(4-methoxybenzoyl)amino]phenyl]carbamate
PubChem CID21352739
Molecular FormulaC27H29N3O4
Molecular Weight459.55 g/mol
Exact Mass459.22
IUPAC Name(1-benzylpiperidin-4-yl) N-[2-[(4-methoxybenzoyl)amino]phenyl]carbamate
SMILESCOc1ccc(C(=O)Nc2ccccc2NC(=O)OC2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C27H29N3O4/c1-33-22-13-11-21(12-14-22)26(31)28-24-9-5-6-10-25(24)29-27(32)34-23-15-17-30(18-16-23)19-20-7-3-2-4-8-20/h2-14,23H,15-19H2,1H3,(H,28,31)(H,29,32)
InChIKeyYZXWGMZUZJYYQF-UHFFFAOYSA-N
XLogP5.16
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.55
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-benzylpiperidin-4-yl) N-[2-[(4-methoxybenzoyl)amino]phenyl]carbamate?
The IUPAC name of (1-benzylpiperidin-4-yl) N-[2-[(4-methoxybenzoyl)amino]phenyl]carbamate (CID 21352739) is (1-benzylpiperidin-4-yl) N-[2-[(4-methoxybenzoyl)amino]phenyl]carbamate.
What is the SMILES notation for (1-benzylpiperidin-4-yl) N-[2-[(4-methoxybenzoyl)amino]phenyl]carbamate?
The canonical SMILES for (1-benzylpiperidin-4-yl) N-[2-[(4-methoxybenzoyl)amino]phenyl]carbamate is COc1ccc(C(=O)Nc2ccccc2NC(=O)OC2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of (1-benzylpiperidin-4-yl) N-[2-[(4-methoxybenzoyl)amino]phenyl]carbamate?
The InChIKey is YZXWGMZUZJYYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O4/c1-33-22-13-11-21(12-14-22)26(31)28-24-9-5-6-10-25(24)29-27(32)34-23-15-17-30(18-16-23)19-20-7-3-2-4-8-20/h2-14,23H,15-19H2,1H3,(H,28,31)(H,29,32).
What are the key properties of (1-benzylpiperidin-4-yl) N-[2-[(4-methoxybenzoyl)amino]phenyl]carbamate?
(1-benzylpiperidin-4-yl) N-[2-[(4-methoxybenzoyl)amino]phenyl]carbamate has a molecular weight of 459.55 g/mol, XLogP of 5.16, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylpiperidin-4-yl) N-[2-[(4-methoxybenzoyl)amino]phenyl]carbamate is sourced from PubChem (CID 21352739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).